SCHEMBL2128361

SCHEMBL2128361

CN(C)c1nc(C(=O)N2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)c(-c2ccc(F)c(Br)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.36
HCRTR2 O43614 18/20 0.36
RORC P51449 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2126109 0.89 HCRTR1 (0.39) HCRTR1HCRTR2RORC
SCHEMBL2127339 0.89 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2126481 0.88 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2127482 0.88 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2128364 0.87 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL2127631 0.86 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2125619 0.86 HCRTR1 (0.45) HCRTR1HCRTR2RORC
SCHEMBL2125623 0.86 HCRTR1 (0.45) HCRTR1HCRTR2RORC
SCHEMBL2127707 0.85 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL2127892 0.84 HCRTR1 (0.47) HCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US claimed
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP claimed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP claimed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO claimed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO disclosed